| Entry |
|
|---|
| Name |
Aplindore fumarate (USAN) |
|---|
| Formula |
C18H18N2O3. C4H4O4
|
|---|
| Exact mass |
426.1427
|
|---|
| Mol weight |
426.4193
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01472 Dopamine agonist
|
|---|
| Efficacy |
Antipsychotic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
D03214 Aplindore fumarate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D03214 Aplindore fumarate (USAN)
DRD3
D03214 Aplindore fumarate (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 31
1 C1y C 19.4433 -18.8491
2 O2x O 18.2348 -18.1403
3 C1x C 19.4376 -20.2436
4 C8y C 17.0204 -18.8375
5 O2x O 18.2232 -20.9352
6 C8y C 17.0148 -20.2378
7 C8y C 15.8178 -18.1346
8 C8x C 15.8178 -20.9293
9 C8y C 14.6034 -18.8375
10 C8x C 14.6034 -20.2378
11 C1b C 23.0748 -18.1577
12 N1b N 21.8663 -18.8608
13 C1b C 20.6577 -18.1518
14 C8y C 24.2805 -18.8487
15 C8x C 24.2853 -20.2747
16 C8x C 25.4987 -20.9696
17 C8x C 26.7072 -20.2663
18 C8x C 26.7723 -18.8404
19 C8x C 25.4889 -18.1453
20 C1x C 15.5244 -16.7624
21 C5x C 14.1288 -16.6173
22 N1x N 13.5596 -17.8998
23 O5x O 13.4375 -15.4236
24 C2b C 31.7712 -19.8671
25 C2b C 32.9549 -19.1708
26 C6a C 30.5874 -19.2404
27 C6a C 34.2081 -19.8671
28 O6a O 29.3342 -19.9367
29 O6a O 30.5874 -17.7781
30 O6a O 35.3920 -19.1708
31 O6a O 34.2081 -21.2596
BOND 33
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 2
7 6 8 2
8 7 9 1
9 8 10 1
10 5 6 1
11 9 10 2
12 12 13 1
13 11 12 1
14 1 13 1 #Up
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 7 20 1
23 20 21 1
24 21 22 1
25 9 22 1
26 21 23 2
27 24 25 2
28 24 26 1
29 25 27 1
30 26 28 1
31 26 29 2
32 27 30 1
33 27 31 2
|
|---|
